2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide

C22H24N4O6S — CID 55607272

About 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide (PubChem CID 55607272) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide
• PubChem CID: 55607272
• Molecular Formula: C22H24N4O6S
• Molecular Weight: 472.52 g/mol
• Exact Mass: 472.14
• IUPAC Name: 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide
• SMILES: CON(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)cc1
• InChI: InChI=1S/C22H24N4O6S/c1-22-13-12-20(28)26(22)18-7-5-4-6-17(18)21(29)25(22)14-19(27)23-15-8-10-16(11-9-15)33(30,31)24(2)32-3/h4-11H,12-14H2,1-3H3,(H,23,27)
• InChIKey: CTFKRSISGVEWJV-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 116.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.52
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide?

The IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide (CID 55607272) is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide.

What is the SMILES notation for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide?

The canonical SMILES for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide is CON(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)cc1.

What is the InChIKey of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide?

The InChIKey is CTFKRSISGVEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-22-13-12-20(28)26(22)18-7-5-4-6-17(18)21(29)25(22)14-19(27)23-15-8-10-16(11-9-15)33(30,31)24(2)32-3/h4-11H,12-14H2,1-3H3,(H,23,27).

What are the key properties of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide?

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide has a molecular weight of 472.52 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55607272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).